Near spectroscopically accurate ab initio potential energy surface for NH4+ and variational calculations of low-lying vibrational levels

Journal of Physical Chemistry A

Volumn 119, Issue 14, 2015, Pages 3400-3406

  Han, Huixian ^a,b   Song, Hongwei ^a   Li, Jun ^c   Guo, Hua ^a  

^a UNIVERSITY OF NEW MEXICO   (United States)

^b NORTHWEST UNIVERSITY   (China)

^c CHONGQING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; MEAN SQUARE ERROR; MOLECULAR PHYSICS; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; VARIATIONAL TECHNIQUES;

AB INITIO POTENTIAL ENERGY SURFACE; FUNDAMENTAL FREQUENCIES; INVARIANT POLYNOMIALS; NORMAL COORDINATE; ROOT MEAN SQUARE ERRORS; VARIATIONAL CALCULATION; VIBRATIONAL ENERGY LEVELS; VIBRATIONAL LEVELS;

POTENTIAL ENERGY;

EID: 84927135776     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.5b01835     Document Type: Article

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